2-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide

C20H16F2N2O2S — CID 46066583

IUPAC2-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
SMILESC=CCNC(=O)c1csc(-c2cccc(OCc3c(F)cccc3F)c2)n1
InChIInChI=1S/C20H16F2N2O2S/c1-2-9-23-19(25)18-12-27-20(24-18)13-5-3-6-14(10-13)26-11-15-16(21)7-4-8-17(15)22/h2-8,10,12H,1,9,11H2,(H,23,25)
InChIKeyYSUARJPRMUNSQO-UHFFFAOYSA-N
MW386.42 g/mol
LogP4.58
Rot. Bonds7

About 2-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide

2-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide (PubChem CID 46066583) has the molecular formula C20H16F2N2O2S and a molecular weight of 386.42 g/mol. Its IUPAC name is 2-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
PubChem CID46066583
Molecular FormulaC20H16F2N2O2S
Molecular Weight386.42 g/mol
Exact Mass386.09
IUPAC Name2-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
SMILESC=CCNC(=O)c1csc(-c2cccc(OCc3c(F)cccc3F)c2)n1
InChIInChI=1S/C20H16F2N2O2S/c1-2-9-23-19(25)18-12-27-20(24-18)13-5-3-6-14(10-13)26-11-15-16(21)7-4-8-17(15)22/h2-8,10,12H,1,9,11H2,(H,23,25)
InChIKeyYSUARJPRMUNSQO-UHFFFAOYSA-N
XLogP4.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 46066607
2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866122
N-benzyl-2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46065802
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 46065953
2-[3-[(2-fluorophenyl)methoxy]phenyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066403
2-[3-[(2-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46066422
2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46065798
2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 42865886
2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 46065918
2-[3-[(2,5-difluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42866141
2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066640
N-(2-fluorophenyl)-2-[3-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42866958

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide (CID 46066583) is 2-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide is C=CCNC(=O)c1csc(-c2cccc(OCc3c(F)cccc3F)c2)n1.
What is the InChIKey of 2-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide?
The InChIKey is YSUARJPRMUNSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2S/c1-2-9-23-19(25)18-12-27-20(24-18)13-5-3-6-14(10-13)26-11-15-16(21)7-4-8-17(15)22/h2-8,10,12H,1,9,11H2,(H,23,25).
What are the key properties of 2-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide?
2-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46066583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).